Structure of PDB 5sto Chain B Binding Site BS01

Receptor Information

>5sto Chain B (length=300) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MNTVPFTSAPIEVTIGIDQYSFNVKENQPFHGIKDIPIGHVHVIHFQHAD
NSSMRYGYWFDCRMGNFYIQYDPKDGLYKMMEERDGAKFENIVHNFKERQ
MMVSYPKIDEDDTWYNLTEFVQMDKIRKIVRKDENQFSYVDSSMTTVQEN
ELSDPAHSLNYTVINFKSREAIRPGHEMEDFLDKSYYLNTVMLQGIFKNS
SNYFGELQFAFLNAMFFGNYGSSLQWHAMIELICSSATVPKHMLDKLDEI
LYYQIKTLPEQYSDILLNERVWNICLYSSFQKNSLHNTEKIMENKYPELL

Ligand information

Ligand ID

W9U

InChI

InChI=1S/C12H22N2O2/c15-12(10-4-2-1-3-5-10)14-8-6-11(13-16)7-9-14/h10-11,13,16H,1-9H2

InChIKey

BVXVXAAIOFQKMZ-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CCC(CC1)C(=O)N2CCC(CC2)NO
CACTVS 3.385	ONC1CCN(CC1)C(=O)C2CCCCC2
ACDLabs 12.01	O=C(C1CCCCC1)N1CCC(NO)CC1

Formula

C12 H22 N2 O2

Name

cyclohexyl[4-(hydroxyamino)piperidin-1-yl]methanone

ChEMBL

DrugBank

ZINC

PDB chain

5sto Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5sto Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
Resolution	1.55 Å
Binding residue (original residue number in PDB)	T7 Y68 E83 I92 F96
Binding residue (residue number reindexed from 1)	T7 Y68 E83 I92 F96
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5sto, PDBe:5sto, PDBj:5sto
PDBsum	5sto
PubMed	36260741
UniProt	P32357\|AAR2_YEAST A1 cistron-splicing factor AAR2 (Gene Name=AAR2)

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